Task 38683977

Name test_504-GPUGRID_TEST_ATM_40STEP_20261023-28-40-RND7247_0
Workunit 31625509
Created 27 Oct 2026, 14:10:22 UTC
Sent 27 Oct 2026, 14:10:30 UTC
Report deadline 1 Nov 2026, 14:10:30 UTC
Received 27 Oct 2026, 16:04:56 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 607118
Run time 53 min 30 sec
CPU time 42 min 43 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 5,441.05 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 642.30 MB
Peak swap size 9.74 GB
Peak disk usage 3.40 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
16:59:07 (10668): wrapper (7.9.26016): starting
16:59:07 (10668): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A34_A12_0.pdb
QB_A34_A12_0.xml
QB_A34_A12_input.yaml
QB_A34_A12.pdb
QB_A34_A12.prmtop
QB_A34_A12_sys.xml
run.bat
run.sh
16:59:09 (10668): Library/usr/bin/tar.exe exited; CPU time 0.000000
16:59:09 (10668): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
  WARNING: The script pyaml.exe is installed in 'C:\ProgramData\BOINC\slots\16\Scripts' which is not on PATH.
  Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
  WARNING: The scripts abfe_production.exe, abfe_structprep.exe, make_atm_system_from_amber.exe, make_atm_system_from_pdb.exe, make_atm_system_from_rcpt_lig.exe, rbfe_production.exe and rbfe_structprep.exe are installed in 'C:\ProgramData\BOINC\slots\16\Scripts' which is not on PATH.
  Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
tar: run.log: file changed as we read it
tar: r*/*.dcd: Cannot stat: No such file or directory
tar: r*/*.xtc: Cannot stat: No such file or directory
tar: Exiting with failure status due to previous errors
17:50:30 (10668): C:/Windows/system32/cmd.exe exited; CPU time 2563.890625
17:50:30 (10668): called boinc_finish(0)
0 bytes in 0 Free Blocks.
616 bytes in 8 Normal Blocks.
1144 bytes in 1 CRT Blocks.
0 bytes in 0 Ignore Blocks.
0 bytes in 0 Client Blocks.
Largest number used: 0 bytes.
Total allocations: 38195885 bytes.
Dumping objects ->
{3835241} normal block at 0x0000020C7C67ADB0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835230} normal block at 0x0000020C7C67A480, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835219} normal block at 0x0000020C7C67B1A0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835208} normal block at 0x0000020C7C67A410, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835197} normal block at 0x0000020C7A93BC70, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835166} normal block at 0x0000020C7C6C2FA0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835155} normal block at 0x0000020C7C721AA0, 180 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
..\api\boinc_api.cpp(309) : {3835151} normal block at 0x0000020C7A9377E0, 8 bytes long.
 Data: <  &#143;z    > 00 00 8F 7A 0C 02 00 00 
{3834544} normal block at 0x0000020C7C721320, 180 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833941} normal block at 0x0000020C7A937740, 8 bytes long.
 Data: <&#208;%r|    > D0 25 72 7C 0C 02 00 00 
..\zip\boinc_zip.cpp(122) : {302} normal block at 0x0000020C7A940CC0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000020C7A92D760, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{286} normal block at 0x0000020C7A942890, 16 bytes long.
 Data: <&#200;A&#148;z            > C8 41 94 7A 0C 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000020C7A9425C0, 16 bytes long.
 Data: <&#160;A&#148;z            > A0 41 94 7A 0C 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000020C7A93D3B0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{283} normal block at 0x0000020C7A942070, 16 bytes long.
 Data: <xA&#148;z            > 78 41 94 7A 0C 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000020C7A941D00, 16 bytes long.
 Data: <PA&#148;z            > 50 41 94 7A 0C 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000020C7A942570, 16 bytes long.
 Data: <(A&#148;z            > 28 41 94 7A 0C 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000020C7A9424D0, 16 bytes long.
 Data: < A&#148;z            > 00 41 94 7A 0C 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000020C7A93BEA0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{278} normal block at 0x0000020C7A942020, 16 bytes long.
 Data: <&#200;Z&#146;z            > C8 5A 92 7A 0C 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000020C7A93D530, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{276} normal block at 0x0000020C7A942200, 16 bytes long.
 Data: <&#160;Z&#146;z            > A0 5A 92 7A 0C 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000020C7A942430, 16 bytes long.
 Data: <xZ&#146;z            > 78 5A 92 7A 0C 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000020C7A9423E0, 16 bytes long.
 Data: <PZ&#146;z            > 50 5A 92 7A 0C 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000020C7A941C60, 16 bytes long.
 Data: <(Z&#146;z            > 28 5A 92 7A 0C 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000020C7A941B70, 16 bytes long.
 Data: < Z&#146;z            > 00 5A 92 7A 0C 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000020C7A9422F0, 16 bytes long.
 Data: <&#216;Y&#146;z            > D8 59 92 7A 0C 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000020C7A93DD10, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{268} normal block at 0x0000020C7A9421B0, 16 bytes long.
 Data: <&#176;Y&#146;z            > B0 59 92 7A 0C 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000020C7A9259B0, 320 bytes long.
 Data: <&#176;!&#148;z     &#221;&#147;z    > B0 21 94 7A 0C 02 00 00 10 DD 93 7A 0C 02 00 00 
{266} normal block at 0x0000020C7A942340, 16 bytes long.
 Data: <&#224;@&#148;z            > E0 40 94 7A 0C 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000020C7A941AD0, 16 bytes long.
 Data: <&#184;@&#148;z            > B8 40 94 7A 0C 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000020C7A93D9B0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{263} normal block at 0x0000020C7A941DA0, 16 bytes long.
 Data: <&#144;@&#148;z            > 90 40 94 7A 0C 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000020C7A93D8F0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{261} normal block at 0x0000020C7A942660, 16 bytes long.
 Data: <&#216;?&#148;z            > D8 3F 94 7A 0C 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000020C7A9420C0, 16 bytes long.
 Data: <&#176;?&#148;z            > B0 3F 94 7A 0C 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000020C7A941E40, 16 bytes long.
 Data: < ?&#148;z            > 88 3F 94 7A 0C 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000020C7A942250, 16 bytes long.
 Data: <`?&#148;z            > 60 3F 94 7A 0C 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000020C7A941DF0, 16 bytes long.
 Data: <8?&#148;z            > 38 3F 94 7A 0C 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000020C7A941D50, 16 bytes long.
 Data: < ?&#148;z            > 10 3F 94 7A 0C 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000020C7A942480, 16 bytes long.
 Data: <&#192;&#189;&#147;z            > C0 BD 93 7A 0C 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x0000020C7A93BDC0, 40 bytes long.
 Data: <&#128;$&#148;z    &#160;/l|    > 80 24 94 7A 0C 02 00 00 A0 2F 6C 7C 0C 02 00 00 
{252} normal block at 0x0000020C7A9429D0, 16 bytes long.
 Data: <&#240;>&#148;z            > F0 3E 94 7A 0C 02 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x0000020C7A942390, 16 bytes long.
 Data: <&#200;>&#148;z            > C8 3E 94 7A 0C 02 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x0000020C7A93D1D0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{249} normal block at 0x0000020C7A942160, 16 bytes long.
 Data: <&#160;>&#148;z            > A0 3E 94 7A 0C 02 00 00 00 00 00 00 00 00 00 00 
{248} normal block at 0x0000020C7A943EA0, 992 bytes long.
 Data: <`!&#148;z    &#208;&#209;&#147;z    > 60 21 94 7A 0C 02 00 00 D0 D1 93 7A 0C 02 00 00 
{84} normal block at 0x0000020C7A93D410, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{83} normal block at 0x0000020C7A9376F0, 16 bytes long.
 Data: <&#224;&#188;&#147;z            > E0 BC 93 7A 0C 02 00 00 00 00 00 00 00 00 00 00 
{82} normal block at 0x0000020C7A93BCE0, 40 bytes long.
 Data: <&#240;v&#147;z     &#212;&#147;z    > F0 76 93 7A 0C 02 00 00 10 D4 93 7A 0C 02 00 00 
{61} normal block at 0x0000020C7A937AB0, 16 bytes long.
 Data: <&#128;&#234;  &#246;           > 80 EA 16 20 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000020C7A937330, 16 bytes long.
 Data: <@&#233;  &#246;           > 40 E9 16 20 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000020C7A937970, 16 bytes long.
 Data: <&#248;W  &#246;           > F8 57 13 20 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000020C7A9375B0, 16 bytes long.
 Data: <&#216;W  &#246;           > D8 57 13 20 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000020C7A937BA0, 16 bytes long.
 Data: <P   &#246;           > 50 04 13 20 F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000020C7A937010, 16 bytes long.
 Data: <0   &#246;           > 30 04 13 20 F6 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x0000020C7A9372E0, 16 bytes long.
 Data: <&#224;   &#246;           > E0 02 13 20 F6 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x0000020C7A937600, 16 bytes long.
 Data: <    &#246;           > 10 04 13 20 F6 7F 00 00 00 00 00 00 00 00 00 00 
{53} normal block at 0x0000020C7A937150, 16 bytes long.
 Data: <p   &#246;           > 70 04 13 20 F6 7F 00 00 00 00 00 00 00 00 00 00 
{52} normal block at 0x0000020C7A937EC0, 16 bytes long.
 Data: < &#192;  &#246;           > 18 C0 11 20 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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